3-[(2-methylpyrazol-3-yl)methylsulfamoyl]pyridine-2-carbothioamide

C11H13N5O2S2 — CID 106597314

IUPAC3-[(2-methylpyrazol-3-yl)methylsulfamoyl]pyridine-2-carbothioamide
SMILESCn1nccc1CNS(=O)(=O)c1cccnc1C(N)=S
InChIInChI=1S/C11H13N5O2S2/c1-16-8(4-6-14-16)7-15-20(17,18)9-3-2-5-13-10(9)11(12)19/h2-6,15H,7H2,1H3,(H2,12,19)
InChIKeyKGABLOSIGYQJPN-UHFFFAOYSA-N
MW311.39 g/mol
LogP-0.07
Rot. Bonds5

About 3-[(2-methylpyrazol-3-yl)methylsulfamoyl]pyridine-2-carbothioamide

3-[(2-methylpyrazol-3-yl)methylsulfamoyl]pyridine-2-carbothioamide (PubChem CID 106597314) has the molecular formula C11H13N5O2S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-[(2-methylpyrazol-3-yl)methylsulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-[(2-methylpyrazol-3-yl)methylsulfamoyl]pyridine-2-carbothioamide
PubChem CID106597314
Molecular FormulaC11H13N5O2S2
Molecular Weight311.39 g/mol
Exact Mass311.05
IUPAC Name3-[(2-methylpyrazol-3-yl)methylsulfamoyl]pyridine-2-carbothioamide
SMILESCn1nccc1CNS(=O)(=O)c1cccnc1C(N)=S
InChIInChI=1S/C11H13N5O2S2/c1-16-8(4-6-14-16)7-15-20(17,18)9-3-2-5-13-10(9)11(12)19/h2-6,15H,7H2,1H3,(H2,12,19)
InChIKeyKGABLOSIGYQJPN-UHFFFAOYSA-N
XLogP-0.07
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
CID 63303237
3-(ethylsulfamoyl)pyridine-2-carbothioamide
CID 106596293
3-[(5-chlorothiophen-2-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106597414
3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106597308
2-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 106065065
3-(2-methylsulfanylethylsulfamoyl)pyridine-2-carbothioamide
CID 106597383
2-[4-[(2-methylpyrazol-3-yl)methylsulfamoyl]phenyl]ethanethioamide
CID 79203528
3-[2-(1-methylimidazol-2-yl)ethylsulfamoyl]pyridine-2-carbothioamide
CID 106597127
3-[(3-ethylthiophen-2-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106597606
3-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106596914
3-bromo-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 71982239
5-amino-2,4-difluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 63304324

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpyrazol-3-yl)methylsulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 3-[(2-methylpyrazol-3-yl)methylsulfamoyl]pyridine-2-carbothioamide (CID 106597314) is 3-[(2-methylpyrazol-3-yl)methylsulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 3-[(2-methylpyrazol-3-yl)methylsulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 3-[(2-methylpyrazol-3-yl)methylsulfamoyl]pyridine-2-carbothioamide is Cn1nccc1CNS(=O)(=O)c1cccnc1C(N)=S.
What is the InChIKey of 3-[(2-methylpyrazol-3-yl)methylsulfamoyl]pyridine-2-carbothioamide?
The InChIKey is KGABLOSIGYQJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S2/c1-16-8(4-6-14-16)7-15-20(17,18)9-3-2-5-13-10(9)11(12)19/h2-6,15H,7H2,1H3,(H2,12,19).
What are the key properties of 3-[(2-methylpyrazol-3-yl)methylsulfamoyl]pyridine-2-carbothioamide?
3-[(2-methylpyrazol-3-yl)methylsulfamoyl]pyridine-2-carbothioamide has a molecular weight of 311.39 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpyrazol-3-yl)methylsulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 106597314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).